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131337-81-0

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Basic Information
CAS No.: 131337-81-0
Name: THIENO[2,3-B]PYRIDIN-2-YLMETHANOL
Molecular Structure:
Molecular Structure of 131337-81-0 (THIENO[2,3-B]PYRIDIN-2-YLMETHANOL)
Formula: C8H7NOS
Molecular Weight: 165.216
Synonyms: THIENO[2,3-B]PYRIDIN-2-YLMETHANOL;Thieno[2,3-b]pyridin-2-ylmethanol 97%
Density: 1.375g/cm3
Melting Point: 47 °C
Boiling Point: 341.5 °C at 760 mmHg
Flash Point: 160.3 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 61.36000
LogP: 1.78860
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Specification

The Thieno[2,3-b]pyridine-2-methanol, with CAS registry number 131337-81-0, has the systematic name of thieno[2,3-b]pyridin-2-ylmethanol. Besides this, it is also called Thieno[2,3-b]pyridin-2-ylmethanol 97%. And the chemical formula of this chemical is C8H7NOS.

Physical properties of Thieno[2,3-b]pyridine-2-methanol: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.36 Å2; (7)Index of Refraction: 1.712; (8)Molar Refractivity: 47.02 cm3; (9)Molar Volume: 120 cm3; (10)Polarizability: 18.64×10-24cm3; (11)Surface Tension: 65.7 dyne/cm; (12)Density: 1.375 g/cm3; (13)Flash Point: 160.3 °C; (14)Enthalpy of Vaporization: 61.76 kJ/mol; (15)Boiling Point: 341.5 °C at 760 mmHg; (16)Vapour Pressure: 3.09E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by thieno[2,3-b]pyridine-2-carbaldehyde. This reaction will need reagent NaBH4 and solvent ethanol. The reaction time is 30 min. The yield is about 87%.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2c1sc(c2)CO
(2)InChI: InChI=1/C8H7NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-4,10H,5H2
(3)InChIKey: XLUKSWZEEAGBDH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H7NOS/c10-5-7-4-6-2-1-3-9-8(6)11-7/h1-4,10H,5H2
(5)Std. InChIKey: XLUKSWZEEAGBDH-UHFFFAOYSA-N